3-Chloro-4-(pentyloxy)benzoic acid

HCID 61379193
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Basic information

Standard SMILES
CCCCCOc1ccc(C(=O)O)cc1Cl
InChIKey
HANPVWXKAKDJDV-UHFFFAOYSA-N
Molecular formula
C12H15ClO3
Average molar mass
242.7 g/mol

Names & identifiers

Preferred name
3-Chloro-4-(pentyloxy)benzoic acid
IUPAC
3-chloro-4-pentoxybenzoic acid

Names & synonyms

SCHEMBL566466HANPVWXKAKDJDV-UHFFFAOYSA-N3-Chloro-4-(pentyloxy)benzoic acidAKOS010637156

Database identifiers

PubChem CID
61379193

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
16

Related reactions

1 records
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Compound notes

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